2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide

C16H17ClFN3O — CID 51145874

IUPAC2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFN3O/c17-14-10-11(18)6-7-13(14)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyVBOBNCSILVJWMZ-UHFFFAOYSA-N
MW321.78 g/mol
LogP4.43
Rot. Bonds3

About 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide

2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide (PubChem CID 51145874) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
PubChem CID51145874
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
SMILESO=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Cl
InChIInChI=1S/C16H17ClFN3O/c17-14-10-11(18)6-7-13(14)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22)
InChIKeyVBOBNCSILVJWMZ-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide (CID 51145874) is 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide is O=C(Nc1ccnn1C1CCCCC1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
The InChIKey is VBOBNCSILVJWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3O/c17-14-10-11(18)6-7-13(14)16(22)20-15-8-9-19-21(15)12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,20,22).
What are the key properties of 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide?
2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide has a molecular weight of 321.78 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 51145874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).